4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide

C26H36N4O3 — CID 10623523

IUPAC4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESCOc1ccccc1N1CCN(CCN(C(=O)C2CCC(OC)CC2)c2ccccn2)CC1
InChIInChI=1S/C26H36N4O3/c1-32-22-12-10-21(11-13-22)26(31)30(25-9-5-6-14-27-25)20-17-28-15-18-29(19-16-28)23-7-3-4-8-24(23)33-2/h3-9,14,21-22H,10-13,15-20H2,1-2H3
InChIKeyZOWGSTSYIKMOKA-UHFFFAOYSA-N
MW452.60 g/mol
LogP3.45
Rot. Bonds8

About 4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide

4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide (PubChem CID 10623523) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
PubChem CID10623523
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC Name4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESCOc1ccccc1N1CCN(CCN(C(=O)C2CCC(OC)CC2)c2ccccn2)CC1
InChIInChI=1S/C26H36N4O3/c1-32-22-12-10-21(11-13-22)26(31)30(25-9-5-6-14-27-25)20-17-28-15-18-29(19-16-28)23-7-3-4-8-24(23)33-2/h3-9,14,21-22H,10-13,15-20H2,1-2H3
InChIKeyZOWGSTSYIKMOKA-UHFFFAOYSA-N
XLogP3.45
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide (CID 10623523) is 4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide is COc1ccccc1N1CCN(CCN(C(=O)C2CCC(OC)CC2)c2ccccn2)CC1.
What is the InChIKey of 4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?
The InChIKey is ZOWGSTSYIKMOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-32-22-12-10-21(11-13-22)26(31)30(25-9-5-6-14-27-25)20-17-28-15-18-29(19-16-28)23-7-3-4-8-24(23)33-2/h3-9,14,21-22H,10-13,15-20H2,1-2H3.
What are the key properties of 4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?
4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide has a molecular weight of 452.60 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 10623523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).